Cas no 90481-83-7 (1H-INDOLE, 4-BROMO-3-IODO-1-[(4-METHYLPHENYL)SULFONYL]-)
90481-83-7 structure
Product Name:1H-INDOLE, 4-BROMO-3-IODO-1-[(4-METHYLPHENYL)SULFONYL]-
CAS No:90481-83-7
MF:C15H11BrINO2S
MW:476.126814126968
CID:3225425
PubChem ID:14398914
Update Time:2025-04-21
1H-INDOLE, 4-BROMO-3-IODO-1-[(4-METHYLPHENYL)SULFONYL]- Chemical and Physical Properties
Names and Identifiers
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- 1H-INDOLE, 4-BROMO-3-IODO-1-[(4-METHYLPHENYL)SULFONYL]-
- 90481-83-7
- 1h-indole,4-bromo-3-iodo-1-[(4-methylphenyl)sulfonyl]-
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- Inchi: 1S/C15H11BrINO2S/c1-10-5-7-11(8-6-10)21(19,20)18-9-13(17)15-12(16)3-2-4-14(15)18/h2-9H,1H3
- InChI Key: WXWRBOSKPOSENQ-UHFFFAOYSA-N
- SMILES: N1(S(C2=CC=C(C)C=C2)(=O)=O)C2=C(C(Br)=CC=C2)C(I)=C1
Computed Properties
- Exact Mass: 474.87386Da
- Monoisotopic Mass: 474.87386Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 473
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 47.5?2
1H-INDOLE, 4-BROMO-3-IODO-1-[(4-METHYLPHENYL)SULFONYL]- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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